Try beta.chemspider
1,1'-[(4,6-Dimethoxy-1,3-phenylene)bis(methylene)]bis(2,4,6-trimethoxybenzene)
COc1cc(c(c(c1)OC)Cc2cc(c(cc2OC)OC)Cc3c(cc(cc3OC)OC)OC)OC
InChI=1S/C28H34O8/c1-29-19-12-25(33-5)21(26(13-19)34-6)10-17-9-18(24(32-4)16-23(17)31-3)11-22-27(35-7)14-20(30-2)15-28(22)36-8/h9,12-16H,10-11H2,1-8H3
UOFAXZVBSODAKP-UHFFFAOYSA-N
CSID:2968794, http://www.chemspider.com/Chemical-Structure.2968794.html (accessed 00:09, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 567.23 (Adapted Stein & Brown method) Melting Pt (deg C): 244.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.22E-012 (Modified Grain method) Subcooled liquid VP: 5.24E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.001429 log Kow used: 6.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4654e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.41E-015 atm-m3/mole Group Method: 3.22E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.019E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.69 (KowWin est) Log Kaw used: -12.582 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.272 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.6748 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4827 (recalcitrant) Biowin4 (Primary Survey Model) : 3.6083 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7319 Biowin6 (MITI Non-Linear Model): 0.3409 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8075 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.99E-008 Pa (5.24E-010 mm Hg) Log Koa (Koawin est ): 19.272 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 42.9 Octanol/air (Koa) model: 4.59E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 208.5048 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.616 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.151E+008 Log Koc: 8.618 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.448 (BCF = 2.803e+004) log Kow used: 6.69 (estimated) Volatilization from Water: Henry LC: 3.22E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4062 hours (169.3 days) Half-Life from Model Lake : 4.45E+004 hours (1854 days) Removal In Wastewater Treatment: Total removal: 93.65 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.87 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00535 1.23 1000 Water 0.934 4.32e+003 1000 Soil 41.9 8.64e+003 1000 Sediment 57.1 3.89e+004 0 Persistence Time: 1.03e+004 hr
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